TITLE

Prediction of Gas-chromatographic Elution Sequence of Diastereomers and Enantiomers Using the Molecular Dynamics Methods

AUTHOR(S)
Zenkevich, I. G.; Kostikov, R. R.
PUB. DATE
August 2003
SOURCE
Russian Journal of Organic Chemistry;Aug2003, Vol. 39 Issue 8, p1057
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
A possibility was demonstrated of predicting elution sequence in gas chromatography for diastereomers (on standard phases) and enantiomers (on chiral phases, in particular, on cyclodextrins derivatives) in keeping with decreasing intramolecular vibration and rotation energies E estimated by computer simulation using the molecular dynamics methods. To characterize enantiomers by this method a hypothetic modification of molecular structure was suggested by introducing additional chiral substituent of R-configuration.
ACCESSION #
16762775

 

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